BX01QM -OEChem-04012113452D 43 46 0 0 0 0 0 0 0999 V2000 9.1087 2.6588 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9942 -3.2578 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.2616 -2.6304 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.3668 -1.9904 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9863 3.2578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5814 1.5346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9737 -0.6122 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9237 0.3352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9331 2.3033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6087 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6087 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2997 2.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2937 0.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9177 2.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2843 2.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6040 1.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9032 0.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 0.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6493 2.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2987 2.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9320 1.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6342 -1.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3213 2.9102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9547 1.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6361 1.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3142 -2.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4902 0.0816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3658 -0.7341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7273 0.0816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7153 3.1577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1213 0.4153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1782 -1.6604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0215 -0.8789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1320 3.5006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5380 0.7583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2420 1.6658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9065 2.9553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1475 2.7119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5408 2.0574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5834 1.1816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4592 1.2241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 27 1 0 0 0 0 3 27 1 0 0 0 0 4 27 1 0 0 0 0 5 15 2 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 13 1 0 0 0 0 7 22 1 0 0 0 0 7 30 1 0 0 0 0 8 11 1 0 0 0 0 8 17 2 0 0 0 0 9 14 2 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 12 15 1 0 0 0 0 13 18 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 29 1 0 0 0 0 18 25 2 0 0 0 0 18 31 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 19 26 1 0 0 0 0 20 23 1 0 0 0 0 20 32 1 0 0 0 0 21 24 2 0 0 0 0 21 33 1 0 0 0 0 22 27 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 26 28 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 28 41 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 M END $$$$